6-[2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Chemical Structure Depiction of
6-[2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
6-[2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Compound characteristics
| Compound ID: | 1012-0492 |
| Compound Name: | 6-[2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol |
| Molecular Weight: | 368.14 |
| Molecular Formula: | C13 H10 Br N3 O5 |
| Smiles: | COc1ccc(/C=C/c2c(c(nc(n2)O)O)[N+]([O-])=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7895 |
| logD: | -1.6073 |
| logSw: | -3.017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.075 |
| InChI Key: | POTVOLOHYPSKQW-UHFFFAOYSA-N |